activity
20132022
most citedGas adsorption on MoS2 monolayer from first-principles calculations

453 citations · 1.2k across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2022

Model-based quantitative methods to predict irradiation-induced swelling in alloys

Wei Ge, Shijun Zhao, Chenxu Wang +7

Predicting volume swelling of structural materials in nuclear reactors under high-dose neutron irradiations based on existing low-dose experiments or irradiation data with high-dos…

physics.chem-ph2021★ 1 cited

Emerging Oscillating Reactions at the Insulator/Semiconductor Solid/Solid Interface via Proton Implantation

Dechao Meng, Guanghui Zhang, Ming Li +15

Most oscillating reactions (ORs) happen in solutions. Few existing solid-based ORs either happen on solid/gas (e.g., oxidation or corrosion) or solid/liquid interfaces, or at the a…

physics.app-ph2020★ 3 cited

A High Accuracy Electrical Stopping Power Prediction Model based on Deep Learning Algorithm and its Applications

Xun Guo, Hao Wang, Shijun Zhao +2

Energy loss of energetic ions in solid is crucial in many field, and accurate prediction of the ion stopping power is a long-time goal. Though great efforts have been made, it is s…

cond-mat.mtrl-sci2020★ 4 cited

Deep-learning interatomic potential for irradiation damage simulations in MoS2 with ab initial accuracy

Hao Wang, Xun Guo, Jianming Xue

Potentials that could accurately describe the irradiation damage processes are highly desired to figure out the atomic-level response of various newly-discovered materials under ir…

cond-mat.mes-hall2014★ 449 cited

The potential applications of phosphorene as anode materials in Li-ion batteries

Shijun Zhao, Wei Kang

The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential ap…

cond-mat.mtrl-sci2014

Irradiation effects in the Ni-17Mo-7Cr alloy bombarded with MeV Au ions

Peng Guo, Long Yan, Qing Huang +4

Irradiation effects in Ni-17Mo-7Cr alloy, which is an newly developed structural material for molten salt reactor (MSR), have been systematically investigated by using 3MeV Au ions…

cond-mat.mes-hall2014★ 184 cited

Manipulation of electronic and magnetic properties of MC (M=Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

Shijun Zhao, Wei Kang, Jianming Xue

Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. Rec…

physics.acc-ph2014★ 3 cited

The discharge characteristics of the DUHOCAMIS with a high magnetic bottle-shaped field

Dongpo Fu, Weijiang Zhao, Peng Guo +7

For the purpose to produce high intensity, multiply charged metal ion beams, the DUHOCAMIS (dual hollow cathode ion source for metal ions) was derived from the hot cathode Penning…

cond-mat.mes-hall2013

Surface Engineering of Synthetic Nanopores by Atomic Layer Deposition and Their Applications

Ceming Wang, Delin Kong, Qiang Chen +1

In the past decade, nanopores have been developed extensively for various potential applications, and their performance greatly depends on the surface properties of the nanopores.…

cond-mat.mes-hall2013★ 57 cited

Fabrication of nanopores in a graphene sheet with heavy ions: a molecular dynamics study

Weisen Li, Li Liang, Shijun Zhao +2

Molecular dynamics (MD) simulations were performed to study the formation process of nanopores in a suspended graphene sheet irradiated by using energetic ions though a mask. By co…

cond-mat.mes-hall2013★ 453 cited

Gas adsorption on MoS2 monolayer from first-principles calculations

Shijun Zhao, Jianming Xue, Wei Kang

First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2…